General Information of the Compound
| Compound ID |
CP0037786
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| Compound Name |
(2R,3R,4S,5S)-2-[6-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]purin-9-yl]-5-[(2-fluorophenyl)sulfanylmethyl]oxolane-3,4-diol
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| Structure |
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| Formula |
C23H26FN5O3S
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| Molecular Weight |
471.558
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| Canonical SMILES |
O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@H]4CC[C@H]3C4)ncnc12
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| InChI |
InChI=1S/C23H26FN5O3S/c24-14-3-1-2-4-17(14)33-9-16-19(30)20(31)23(32-16)29-11-27-18-21(25-10-26-22(18)29)28-15-8-12-5-6-13(15)7-12/h1-4,10-13,15-16,19-20,23,30-31H,5-9H2,(H,25,26,28)/t12-,13-,15-,16+,19+,20+,23+/m0/s1
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| InChIKey |
SUWMIJWDQITPCK-XBSJUMASSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound